4-chloranyl-2-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]benzoic acid Formula: C16H11ClN4O4S MolecularWeight: 390.80094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C16H11ClN4O4S/c17-10-1-2-11(15(23)24)12(7-10)19-13(22)8-26-16-21-20-14(25-16)9-3-5-18-6-4-9/h1-7H,8H2,(H,19,22)(H,23,24)